3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C16H25BrN2O2 — CID 65002385

IUPAC3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1CC1(CBr)CCCCC1
InChIInChI=1S/C16H25BrN2O2/c17-11-15(7-3-1-4-8-15)12-19-13(20)16(18-14(19)21)9-5-2-6-10-16/h1-12H2,(H,18,21)
InChIKeyUGGYWXFFOCTXPZ-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.59
Rot. Bonds3

About 3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 65002385) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID65002385
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1CC1(CBr)CCCCC1
InChIInChI=1S/C16H25BrN2O2/c17-11-15(7-3-1-4-8-15)12-19-13(20)16(18-14(19)21)9-5-2-6-10-16/h1-12H2,(H,18,21)
InChIKeyUGGYWXFFOCTXPZ-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[[1-(bromomethyl)cyclohexyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 65002436
3-[[1-(bromomethyl)cyclopropyl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 65008305
7-[(1-hydroxycyclohexyl)methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110921685
3-(3-bromo-2-hydroxypropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 112560051
3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 64995612
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 64995551
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 65002385) is 3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1CC1(CBr)CCCCC1.
What is the InChIKey of 3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is UGGYWXFFOCTXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c17-11-15(7-3-1-4-8-15)12-19-13(20)16(18-14(19)21)9-5-2-6-10-16/h1-12H2,(H,18,21).
What are the key properties of 3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 357.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(bromomethyl)cyclohexyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 65002385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).